HCID290197

2-Amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one

2-amino-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

C10H11N3OS221.28 g/molCAS 81766-02-1

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IDENTITY

结构与身份

标准 SMILES: Nc1nc2sc3c(c2c(=O)[nH]1)CCCC3
InChIKey: KMLONYHSKRNWBQ-UHFFFAOYSA-N
分子式: C10H11N3OS
平均分子量: 221.28 g/mol
单同位素质量: 221.06228316

COMPUTED

结构计算性质

已同步

XLogP: 1.4
极性表面积: 95.7 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 0
重原子: 15
形式电荷: 0
复杂度: 331

ALIASES

名称与别名

共 11 条

81766-02-12-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one2-Amino-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-oneNSC153286SCHEMBL1368915DTXSID80302736KMLONYHSKRNWBQ-UHFFFAOYSA-NAKOS000280090NSC-1532862-amino-5,6,7,8-tetrahydro[1]-benzothieno[2,3-d]pyrimidin-4(3H)-one2-amino-5,6,7,8-tetrahydro[l]benzothieno[2,3-d]pyrimidin-4(3H)-one

REACTIONS